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ESMTPS id 4Xszhs1gdRz1Jh0; Tue, 19 Nov 2024 09:29:17 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.18.1/8.18.1) with ESMTP id 4AJ9THFL069863; Tue, 19 Nov 2024 09:29:17 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.18.1/8.18.1/Submit) id 4AJ9THaU069860; Tue, 19 Nov 2024 09:29:17 GMT (envelope-from git) Date: Tue, 19 Nov 2024 09:29:17 GMT Message-Id: <202411190929.4AJ9THaU069860@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: fe68eefbb1bb - main - science/tblite: update 0.3.0 =?utf-8?Q?=E2=86=92?= 0.4.0 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: fe68eefbb1bb79aa1f1a2444caacb333a814c869 Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=fe68eefbb1bb79aa1f1a2444caacb333a814c869 commit fe68eefbb1bb79aa1f1a2444caacb333a814c869 Author: Yuri Victorovich AuthorDate: 2024-11-19 06:21:14 +0000 Commit: Yuri Victorovich CommitDate: 2024-11-19 09:29:08 +0000 science/tblite: update 0.3.0 → 0.4.0 Reported by: portscout --- science/tblite/Makefile | 5 +++-- science/tblite/distinfo | 6 +++--- science/tblite/pkg-plist | 17 ++++++++++++++++- 3 files changed, 22 insertions(+), 6 deletions(-) diff --git a/science/tblite/Makefile b/science/tblite/Makefile index d53bda751950..4ea6acc2b2fa 100644 --- a/science/tblite/Makefile +++ b/science/tblite/Makefile @@ -1,7 +1,6 @@ PORTNAME= tblite DISTVERSIONPREFIX= v -DISTVERSION= 0.3.0 -PORTREVISION= 3 +DISTVERSION= 0.4.0 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org @@ -28,6 +27,8 @@ USE_GITHUB= yes USE_LDCONFIG= yes CMAKE_ON= BUILD_SHARED_LIBS +CMAKE_OFF= WITH_TESTS +CMAKE_TESTING_ON= WITH_TESTS post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt diff --git a/science/tblite/distinfo b/science/tblite/distinfo index 45ef1a2c0abb..5be96927f362 100644 --- a/science/tblite/distinfo +++ b/science/tblite/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1686109155 -SHA256 (tblite-tblite-v0.3.0_GH0.tar.gz) = 44b6ecff94b29c109f7d1afa3f49eebd3979a2b115fc7bab0c9fc1d7e61bdc27 -SIZE (tblite-tblite-v0.3.0_GH0.tar.gz) = 496111 +TIMESTAMP = 1731994102 +SHA256 (tblite-tblite-v0.4.0_GH0.tar.gz) = c4a67dfbe04827095fd7598183e076fa3017a5a475c4f90fd28e78992dc19ea7 +SIZE (tblite-tblite-v0.4.0_GH0.tar.gz) = 624375 diff --git a/science/tblite/pkg-plist b/science/tblite/pkg-plist index 41b65992fc61..87b99403b73c 100644 --- a/science/tblite/pkg-plist +++ b/science/tblite/pkg-plist @@ -3,6 +3,7 @@ include/tblite.h include/tblite/calculator.h include/tblite/container.h include/tblite/context.h +include/tblite/double_dictionary.h include/tblite/error.h include/tblite/macros.h include/tblite/param.h @@ -13,6 +14,7 @@ include/tblite/tblite_adjlist.mod include/tblite/tblite_api_calculator.mod include/tblite/tblite_api_container.mod include/tblite/tblite_api_context.mod +include/tblite/tblite_api_double_dictionary.mod include/tblite/tblite_api_error.mod include/tblite/tblite_api_param.mod include/tblite/tblite_api_result.mod @@ -28,6 +30,9 @@ include/tblite/tblite_blas.mod include/tblite/tblite_blas_level1.mod include/tblite/tblite_blas_level2.mod include/tblite/tblite_blas_level3.mod +include/tblite/tblite_ceh_ceh.mod +include/tblite/tblite_ceh_h0.mod +include/tblite/tblite_ceh_singlepoint.mod include/tblite/tblite_classical_halogen.mod include/tblite/tblite_container.mod include/tblite/tblite_container_cache.mod @@ -59,9 +64,11 @@ include/tblite/tblite_disp_cache.mod include/tblite/tblite_disp_d3.mod include/tblite/tblite_disp_d4.mod include/tblite/tblite_disp_type.mod +include/tblite/tblite_double_dictionary.mod include/tblite/tblite_external_field.mod include/tblite/tblite_fit_newuoa.mod include/tblite/tblite_fit_settings.mod +include/tblite/tblite_integral_diat_trafo.mod include/tblite/tblite_integral_dipole.mod include/tblite/tblite_integral_multipole.mod include/tblite/tblite_integral_overlap.mod @@ -79,6 +86,8 @@ include/tblite/tblite_lapack_sygvd.mod include/tblite/tblite_lapack_sygvr.mod include/tblite/tblite_mesh_lebedev.mod include/tblite/tblite_ncoord.mod +include/tblite/tblite_ncoord_erf.mod +include/tblite/tblite_ncoord_erf_en.mod include/tblite/tblite_ncoord_exp.mod include/tblite/tblite_ncoord_gfn.mod include/tblite/tblite_ncoord_type.mod @@ -93,10 +102,16 @@ include/tblite/tblite_param_element.mod include/tblite/tblite_param_halogen.mod include/tblite/tblite_param_hamiltonian.mod include/tblite/tblite_param_mask.mod +include/tblite/tblite_param_molecular_moments.mod include/tblite/tblite_param_multipole.mod +include/tblite/tblite_param_post_processing.mod include/tblite/tblite_param_repulsion.mod include/tblite/tblite_param_serde.mod include/tblite/tblite_param_thirdorder.mod +include/tblite/tblite_post_processing_bond_orders.mod +include/tblite/tblite_post_processing_list.mod +include/tblite/tblite_post_processing_molecular_moments.mod +include/tblite/tblite_post_processing_type.mod include/tblite/tblite_repulsion.mod include/tblite/tblite_repulsion_effective.mod include/tblite/tblite_repulsion_type.mod @@ -153,5 +168,5 @@ lib/cmake/tblite/tblite-targets.cmake lib/cmake/tblite/tblite-utils.cmake lib/libtblite.so lib/libtblite.so.0 -lib/libtblite.so.0.3.0 +lib/libtblite.so.0.4.0 libdata/pkgconfig/tblite.pc